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Chemical ID: 6420918
Chemical ID:
6420918
Name [?]:
3-dimethylamino-2-methyl-1,1-diphenyl-propan-1-ol
SMILES [?]:
CC(CN(C)C)C(c1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C18H23NO/c1-15(14-19(2)3)18(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,20H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,6,11,17,10,12,16,18,9,13,15,19,3,2,8,14,7,4,20/E:(2,3)(4,5)(6,7,8,9)(10,11,12,13)(16,17)/rA:20cCCCNCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s4;s2;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.36835 |
Area: | 461.153 |
Solvation: | -2.16048 |
Coulombic: | -26.5451 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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